Compound Detail
CHEMBL1334040
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Basic Information
| ChEMBL ID | CHEMBL1334040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPHZCDKPHYBGQR-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.8
MW (Da)
3.25
ALogP
6
HBA
0
HBD
83.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.13
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.13 | 6.13 | 734.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.35 | 5.295 | 4512.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.53 | 4.53 | 29469.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.53 | 4.53 | 29300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 734.4 | nM | 6.13 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Unchecked | EC50 | = | 4512.0 | nM | 5.35 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 5815.0 | nM | 5.24 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 29469.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| C-C chemokine receptor type 6 | IC50 | = | 29300.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine